N-butyl-4-(4-fluorophenoxy)-N-methylbutanamide

C15H22FNO2 — CID 110487595

IUPACN-butyl-4-(4-fluorophenoxy)-N-methylbutanamide
SMILESCCCCN(C)C(=O)CCCOc1ccc(F)cc1
InChIInChI=1S/C15H22FNO2/c1-3-4-11-17(2)15(18)6-5-12-19-14-9-7-13(16)8-10-14/h7-10H,3-6,11-12H2,1-2H3
InChIKeyYWSZHMQLHKYQPV-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.24
Rot. Bonds8

About N-butyl-4-(4-fluorophenoxy)-N-methylbutanamide

N-butyl-4-(4-fluorophenoxy)-N-methylbutanamide (PubChem CID 110487595) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-butyl-4-(4-fluorophenoxy)-N-methylbutanamide.

Molecular Properties

Compound NameN-butyl-4-(4-fluorophenoxy)-N-methylbutanamide
PubChem CID110487595
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC NameN-butyl-4-(4-fluorophenoxy)-N-methylbutanamide
SMILESCCCCN(C)C(=O)CCCOc1ccc(F)cc1
InChIInChI=1S/C15H22FNO2/c1-3-4-11-17(2)15(18)6-5-12-19-14-9-7-13(16)8-10-14/h7-10H,3-6,11-12H2,1-2H3
InChIKeyYWSZHMQLHKYQPV-UHFFFAOYSA-N
XLogP3.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
CID 86909745
5-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpentanamide
CID 43346690
2-[4-(4-fluorophenoxy)butanoyl-methylamino]acetic acid
CID 43356123
2-chloro-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide
CID 54592497
N-butyl-N-methyl-2-(4-propoxyphenoxy)acetamide
CID 86907760
3-[ethyl-[4-(4-fluorophenoxy)butanoyl]amino]propanoic acid
CID 61006801
N-[(4-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide
CID 78770382
N-(1-aminopropan-2-yl)-4-(4-fluorophenoxy)-N-methylbutanamide
CID 119582440
2-[4-(4-fluorophenoxy)butanoyl-methylamino]propanoic acid
CID 62628008
N-(5-hydroxypentyl)-N-methyl-4-(4-methylphenoxy)butanamide
CID 107202307
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
CID 103831117
N-ethyl-4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide
CID 78847364

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(4-fluorophenoxy)-N-methylbutanamide?
The IUPAC name of N-butyl-4-(4-fluorophenoxy)-N-methylbutanamide (CID 110487595) is N-butyl-4-(4-fluorophenoxy)-N-methylbutanamide.
What is the SMILES notation for N-butyl-4-(4-fluorophenoxy)-N-methylbutanamide?
The canonical SMILES for N-butyl-4-(4-fluorophenoxy)-N-methylbutanamide is CCCCN(C)C(=O)CCCOc1ccc(F)cc1.
What is the InChIKey of N-butyl-4-(4-fluorophenoxy)-N-methylbutanamide?
The InChIKey is YWSZHMQLHKYQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-3-4-11-17(2)15(18)6-5-12-19-14-9-7-13(16)8-10-14/h7-10H,3-6,11-12H2,1-2H3.
What are the key properties of N-butyl-4-(4-fluorophenoxy)-N-methylbutanamide?
N-butyl-4-(4-fluorophenoxy)-N-methylbutanamide has a molecular weight of 267.34 g/mol, XLogP of 3.24, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(4-fluorophenoxy)-N-methylbutanamide is sourced from PubChem (CID 110487595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).